COMPND    UNNAMED
AUTHOR    GENERATED BY OPEN BABEL 3.1.1
HETATM    1  C   UNL     1       6.374   0.056   0.029  1.00  0.00           C  
HETATM    2  C   UNL     1       7.557   0.107  -0.680  1.00  0.00           C  
HETATM    3  C   UNL     1       7.901  -0.927  -1.533  1.00  0.00           C  
HETATM    4  C   UNL     1       4.253  -1.101   0.645  1.00  0.00           C  
HETATM    5  C   UNL     1       4.061  -2.082   1.610  1.00  0.00           C  
HETATM    6  C   UNL     1       2.875  -2.140   2.327  1.00  0.00           C  
HETATM    7  C   UNL     1       1.876  -1.238   2.099  1.00  0.00           C  
HETATM    8  C   UNL     1       2.040  -0.236   1.133  1.00  0.00           C  
HETATM    9  C   UNL     1       3.238  -0.165   0.398  1.00  0.00           C  
HETATM   10  CA  UNL     1       1.894   1.489  -0.290  1.00  0.00           C  
HETATM   11  C   UNL     1       1.213   0.818   0.677  1.00  0.00           C  
HETATM   12  C   UNL     1      -0.173   1.140   1.174  1.00  0.00           C  
HETATM   13  C   UNL     1      -1.204   0.376   0.341  1.00  0.00           C  
HETATM   14  C   UNL     1      -5.224   1.013   1.430  1.00  0.00           C  
HETATM   15  C   UNL     1      -6.555   1.194   1.755  1.00  0.00           C  
HETATM   16  C   UNL     1      -7.532   0.527   1.046  1.00  0.00           C  
HETATM   17  C   UNL     1      -7.192  -0.327   0.003  1.00  0.00           C  
HETATM   18  C   UNL     1      -5.428  -1.417  -1.444  1.00  0.00           C  
HETATM   19  C   UNL     1      -8.311  -1.028  -0.722  1.00  0.00           C  
HETATM   20  OXT UNL     1       2.168   3.238  -1.970  1.00  0.00           O  
HETATM   21  C   UNL     1       1.396   2.657  -1.029  1.00  0.00           C  
HETATM   22  O   UNL     1       0.289   3.099  -0.792  1.00  0.00           O  
HETATM   23  N   UNL     1       3.130   0.896  -0.466  1.00  0.00           N  
HETATM   24  C   UNL     1       5.526  -1.041  -0.114  1.00  0.00           C  
HETATM   25  C   UNL     1       5.878  -2.080  -0.974  1.00  0.00           C  
HETATM   26  C   UNL     1       7.063  -2.018  -1.679  1.00  0.00           C  
HETATM   27  C   UNL     1       6.004   1.181   0.961  1.00  0.00           C  
HETATM   28  C   UNL     1      -2.610   0.702   0.846  1.00  0.00           C  
HETATM   29  O   UNL     1      -3.573  -0.011   0.067  1.00  0.00           O  
HETATM   30  C   UNL     1      -4.881   0.168   0.388  1.00  0.00           C  
HETATM   31  C   UNL     1      -5.869  -0.508  -0.326  1.00  0.00           C  
HETATM   32  C   UNL     1      -6.549  -2.377  -1.832  1.00  0.00           C  
HETATM   33  C   UNL     1      -7.827  -1.564  -2.068  1.00  0.00           C  
HETATM   34  H   UNL     1       8.215   0.956  -0.571  1.00  0.00           H  
HETATM   35  H   UNL     1       8.827  -0.883  -2.086  1.00  0.00           H  
HETATM   36  H   UNL     1       4.840  -2.804   1.802  1.00  0.00           H  
HETATM   37  H   UNL     1       2.741  -2.909   3.073  1.00  0.00           H  
HETATM   38  H   UNL     1       0.958  -1.297   2.665  1.00  0.00           H  
HETATM   39  H   UNL     1      -0.261   0.845   2.220  1.00  0.00           H  
HETATM   40  H   UNL     1      -0.352   2.211   1.082  1.00  0.00           H  
HETATM   41  H   UNL     1      -1.115   0.670  -0.705  1.00  0.00           H  
HETATM   42  H   UNL     1      -1.024  -0.695   0.433  1.00  0.00           H  
HETATM   43  H   UNL     1      -4.455   1.532   1.983  1.00  0.00           H  
HETATM   44  H   UNL     1      -6.830   1.857   2.563  1.00  0.00           H  
HETATM   45  H   UNL     1      -8.571   0.669   1.303  1.00  0.00           H  
HETATM   46  H   UNL     1      -5.163  -0.815  -2.313  1.00  0.00           H  
HETATM   47  H   UNL     1      -4.556  -1.985  -1.122  1.00  0.00           H  
HETATM   48  H   UNL     1      -8.671  -1.857  -0.113  1.00  0.00           H  
HETATM   49  H   UNL     1      -9.127  -0.324  -0.888  1.00  0.00           H  
HETATM   50  HXT UNL     1       1.797   4.004  -2.430  1.00  0.00           H  
HETATM   51  H   UNL     1       3.809   1.183  -1.097  1.00  0.00           H  
HETATM   52  H   UNL     1       5.224  -2.932  -1.088  1.00  0.00           H  
HETATM   53  H   UNL     1       7.336  -2.822  -2.345  1.00  0.00           H  
HETATM   54  H   UNL     1       6.402   0.975   1.955  1.00  0.00           H  
HETATM   55  H   UNL     1       6.424   2.115   0.588  1.00  0.00           H  
HETATM   56  H   UNL     1       4.919   1.266   1.014  1.00  0.00           H  
HETATM   57  H   UNL     1      -2.699   0.408   1.891  1.00  0.00           H  
HETATM   58  H   UNL     1      -2.790   1.773   0.753  1.00  0.00           H  
HETATM   59  H   UNL     1      -6.276  -2.911  -2.742  1.00  0.00           H  
HETATM   60  H   UNL     1      -6.718  -3.089  -1.024  1.00  0.00           H  
HETATM   61  H   UNL     1      -8.593  -2.203  -2.508  1.00  0.00           H  
HETATM   62  H   UNL     1      -7.614  -0.730  -2.737  1.00  0.00           H  
CONECT    1   27    2    2   24                                       
CONECT    2    1    1    3   34                                       
CONECT    3    2   26   26   35                                       
CONECT    4    9   24    5    5                                       
CONECT    5    4    4    6   36                                       
CONECT    6    7    7    5   37                                       
CONECT    7    8    6    6   38                                       
CONECT    8   11    9    9    7                                       
CONECT    9   23    8    8    4                                       
CONECT   10   21   23   11   11                                       
CONECT   11   10   10   12    8                                       
CONECT   12   13   11   39   40                                       
CONECT   13   28   12   41   42                                       
CONECT   14   30   30   15   43                                       
CONECT   15   14   16   16   44                                       
CONECT   16   15   15   17   45                                       
CONECT   17   31   31   16   19                                       
CONECT   18   31   32   46   47                                       
CONECT   19   17   33   48   49                                       
CONECT   20   21   50                                                 
CONECT   21   22   22   20   10                                       
CONECT   22   21   21                                                 
CONECT   23   10    9   51                                            
CONECT   24    1    4   25   25                                       
CONECT   25   24   24   26   52                                       
CONECT   26    3    3   25   53                                       
CONECT   27    1   54   55   56                                       
CONECT   28   13   29   57   58                                       
CONECT   29   28   30                                                 
CONECT   30   29   14   14   31                                       
CONECT   31   30   18   17   17                                       
CONECT   32   18   33   59   60                                       
CONECT   33   32   19   61   62                                       
CONECT   34    2                                                      
CONECT   35    3                                                      
CONECT   36    5                                                      
CONECT   37    6                                                      
CONECT   38    7                                                      
CONECT   39   12                                                      
CONECT   40   12                                                      
CONECT   41   13                                                      
CONECT   42   13                                                      
CONECT   43   14                                                      
CONECT   44   15                                                      
CONECT   45   16                                                      
CONECT   46   18                                                      
CONECT   47   18                                                      
CONECT   48   19                                                      
CONECT   49   19                                                      
CONECT   50   20                                                      
CONECT   51   23                                                      
CONECT   52   25                                                      
CONECT   53   26                                                      
CONECT   54   27                                                      
CONECT   55   27                                                      
CONECT   56   27                                                      
CONECT   57   28                                                      
CONECT   58   28                                                      
CONECT   59   32                                                      
CONECT   60   32                                                      
CONECT   61   33                                                      
CONECT   62   33                                                      
MASTER        0    0    0    0    0    0    0    0   62    0   62    0
END
